SCHEMBL8733380

SCHEMBL8733380

CCCCCCCCOc1ccc(-c2ccc(OC(=O)c3ccc(OC(=O)OC)c(F)c3)cc2F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
RARB P10826 4/20 0.44
PTPN11 Q06124 2/20 0.41
SMPD1 P17405 3/20 0.40
RARG P13631 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8733492 0.89 THRA (0.48) PPARDTHRATHRBRARBPTPN11
SCHEMBL8733497 0.88 PPARD (0.45) PPARDTHRATHRBRARBPTPN11
SCHEMBL8729949 0.87 THRA (0.44) PPARDTHRATHRBRARBPTPN11
SCHEMBL8727835 0.86 THRA (0.44) PPARDTHRATHRBRARBPTPN11
SCHEMBL8727839 0.86 THRA (0.44) PPARDTHRATHRBRARBPTPN11
SCHEMBL8727832 0.86 THRA (0.44) PPARDTHRATHRBRARBPTPN11
SCHEMBL8457375 0.84 PTPN11 (0.49) THRATHRBRARBPTPN11SMPD1
SCHEMBL9640278 0.83 PTPN11 (0.54) THRATHRBRARBPTPN11
SCHEMBL9641454 0.83 PTPN11 (0.54) THRATHRBRARBPTPN11
SCHEMBL9641122 0.83 PTPN11 (0.54) THRATHRBRARBPTPN11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703955-B1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES SECR DEFENCE BRIT (GB) 1998-11-11 EP disclosed
EP-0703955-A1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOV. OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1996-04-03 EP disclosed
WO-1994029405-A1 LIQUID CRYSTAL MATERIALS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE (GB) 1994-12-22 WO disclosed